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144265-70-3 | Isoxazolo[4,5-b]pyridine, 5-ethyl-3-methyl-, 4-oxide
CAS No: 144265-70-3 Catalog No: AG001J7Q MDL No:
Product Description
Catalog Number:
AG001J7Q
Chemical Name:
Isoxazolo[4,5-b]pyridine, 5-ethyl-3-methyl-, 4-oxide
CAS Number:
144265-70-3
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
5-ethyl-3-methyl-4-oxido-[1,2]oxazolo[4,5-b]pyridin-4-ium
InChI:
InChI=1S/C9H10N2O2/c1-3-7-4-5-8-9(11(7)12)6(2)10-13-8/h4-5H,3H2,1-2H3
InChI Key:
NQKJISYAAKIUGS-UHFFFAOYSA-N
SMILES:
CCc1ccc2c([n+]1[O-])c(C)no2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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